CHEBI:103300 - LSM-14644

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ChEBI Name LSM-14644
ChEBI ID CHEBI:103300
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H33N3O4
Net Charge 0
Average Mass 463.570
Monoisotopic Mass 463.24711
InChI InChI=1S/C27H33N3O4/c1-3-6-18-11-12-21-25-24(26(32)28-13-17-9-10-17)20(16-31)22(15-30(21)27(18)33)29(25)14-19-7-4-5-8-23(19)34-2/h3-8,11-12,17,20,22,24-25,31H,9-10,13-16H2,1-2H3,(H,28,32)/t20-,22-,24+,25+/m0/s1
InChIKey HTMWEZISYHEYGX-MMTHZHQFSA-N
SMILES CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3CC4=CC=CC=C4OC)CN2C1=O)CO)C(=O)NCC5CC5
ChEBI Ontology
Outgoing LSM-14644 (CHEBI:103300) is a pyrrolidinecarboxamide (CHEBI:46770)
Manual Xref Database
LSM-14644 LINCS
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